SCHEMBL14820153

SCHEMBL14820153

COC(=O)c1nc(SC)sc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
PKM P14618 2/20 0.32
TSHR P16473 2/20 0.31
KMT2A Q03164 2/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MEN1 O00255 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18484476 0.83 NPSR1 (0.39) NPSR1L3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14805664 0.83 NPSR1 (0.39) NPSR1L3MBTL1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL6284882 0.78 NPSR1 (0.47) NPSR1LMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1096595 0.77 ALDH1A1 (0.51) NPSR1L3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL18193690 0.77 NPSR1 (0.45) NPSR1LMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1845956 0.73 PIK3CA (0.45) NPSR1LMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4120734 0.72 LMNA (0.41) NPSR1LMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL30688636 0.71 LMNA (0.47) NPSR1LMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2952498 0.68 CA1 (0.42) NPSR1
SCHEMBL1431309 0.68 NPSR1 (0.42) NPSR1L3MBTL1SMN1; SMN2MAPTHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B NPSR1 4230/4885LMNA 981/4885L3MBTL1 1004/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B NPSR1 4230/4885LMNA 981/4885L3MBTL1 1004/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.